Glycoside
GD005033
Name:
NoneFormula:
C26H31O11N3Smiles:
CO[C@H]1[C@H](OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1OCc1ccc2ccccc2n1Aglycone:
O=c1cc[nH]c(=O)[nH]1.OCc1ccc2ccccc2n1Sugarmoiety:
COC1C(OCC2OC(O)C(O)C2O)OC(CO)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.5 |
| AlogP: | -1.6 | Num_rotatable_bonds: | 9 |
| MolWt: | 561.54 | Num_heavy_atoms: | 40 |
| TPSA: | 194.82 | NumAromaticRings: | 3 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD04312
Formula: C10H9ON
Smiles:
OCc1ccc2ccccc2n1| HBA: | 2 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.1 |
| AlogP: | 1.73 | Num_rotatable_bonds: | 1 |
| MolWt: | 159.19 | Num_heavy_atoms: | 12 |
| TPSA: | 33.12 | NumAromaticRings: | 2 |
